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fix: calculatate_property()-call lacked an argument
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Johannes Steinmetzer committed Nov 8, 2023
1 parent 75c98a0 commit 3e75c32
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions pysisyphus/marcus_dim/fit.py
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@
import time
from typing import Callable, List, Tuple

from distributed import Client, LocalCluster
from distributed import Client
import matplotlib.pyplot as plt
import numpy as np

Expand Down Expand Up @@ -477,7 +477,9 @@ def calculate_property(i, coords):
if i % 5 == 0:
print(f"\t{i}")
sys.stdout.flush()
all_properties[i] = calculate_property(i)
all_properties[i] = calculate_property(
i, batch_displ_coords[i - start_ind]
)
# End loop over calculations in one batch

batch_dur = time.time() - batch_start
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